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CAS No.: | 6628-25-7 |
---|---|
Name: | N-HEXYL ISOBUTYL KETONE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C11H22O |
Molecular Weight: | 170.295 |
Synonyms: | 2-Methyl-4-decanone;Hexyl isobutyl ketone;NSC 60558; |
Density: | 0.82 g/cm3 |
Melting Point: | 8.52°C (estimate) |
Boiling Point: | 217.7 °C at 760 mmHg |
Flash Point: | 81.8 °C |
PSA: | 17.07000 |
LogP: | 3.57200 |
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The 4-Decanone,2-methyl-, with the CAS registry number 6628-25-7, is also known as 2-Methyl-4-decanone. This chemical's molecular formula is C11H22O and molecular weight is 170.29. What's more, its systematic name is 2-methyldecan-4-one.
Physical properties of 4-Decanone,2-methyl- are: (1)ACD/LogP: 3.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.91; (4)ACD/LogD (pH 7.4): 3.91; (5)ACD/BCF (pH 5.5): 551.11; (6)ACD/BCF (pH 7.4): 551.11; (7)ACD/KOC (pH 5.5): 3189.95; (8)ACD/KOC (pH 7.4): 3189.95; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.424; (14)Molar Refractivity: 52.99 cm3; (15)Molar Volume: 207.6 cm3; (16)Polarizability: 21.01×10-24 cm3; (17)Surface Tension: 26.7 dyne/cm; (18)Density: 0.82 g/cm3; (19)Flash Point: 81.8 °C; (20)Enthalpy of Vaporization: 45.41 kJ/mol; (21)Boiling Point: 217.7 °C at 760 mmHg; (22)Vapour Pressure: 0.131 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(CCCCCC)CC(C)C
(2)InChI: InChI=1/C11H22O/c1-4-5-6-7-8-11(12)9-10(2)3/h10H,4-9H2,1-3H3
(3)InChIKey: QNIWMSRDAQBYHO-UHFFFAOYAM